N-cyclopropyl-N-[(1S)-1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[(5-ethyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]picolinamide Formula: C29H36N3O2+ MolecularWeight: 458.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C29H35N3O2/c1-2-25-13-14-26(34-25)21-31-18-15-23(16-19-31)28(20-22-8-4-3-5-9-22)32(24-11-12-24)29(33)27-10-6-7-17-30-27/h3-10,13-14,17,23-24,28H,2,11-12,15-16,18-21H2,1H3/p+1/t28-/m0/s1